methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate

C18H27N3O4 — CID 22210278

IUPACmethyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate
SMILESCCc1ccccc1NC(=O)NC(C(=O)NC(C)C(=O)OC)C(C)C
InChIInChI=1S/C18H27N3O4/c1-6-13-9-7-8-10-14(13)20-18(24)21-15(11(2)3)16(22)19-12(4)17(23)25-5/h7-12,15H,6H2,1-5H3,(H,19,22)(H2,20,21,24)
InChIKeyKXDRHSCANLFXMS-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.07
Rot. Bonds7

About methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate

methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate (PubChem CID 22210278) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate
PubChem CID22210278
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Namemethyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate
SMILESCCc1ccccc1NC(=O)NC(C(=O)NC(C)C(=O)OC)C(C)C
InChIInChI=1S/C18H27N3O4/c1-6-13-9-7-8-10-14(13)20-18(24)21-15(11(2)3)16(22)19-12(4)17(23)25-5/h7-12,15H,6H2,1-5H3,(H,19,22)(H2,20,21,24)
InChIKeyKXDRHSCANLFXMS-UHFFFAOYSA-N
XLogP2.07
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate with MolForge

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
methyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]propanoate
CID 175796377
methyl (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-3-methylbutanoate
CID 944009
methyl 2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoylamino]benzoate
CID 40597076
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266
methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
CID 124596647
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoate
CID 3702816
methyl 2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]-3-methylbutanoate
CID 4839814
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate (CID 22210278) is methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate is CCc1ccccc1NC(=O)NC(C(=O)NC(C)C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate?
The InChIKey is KXDRHSCANLFXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-6-13-9-7-8-10-14(13)20-18(24)21-15(11(2)3)16(22)19-12(4)17(23)25-5/h7-12,15H,6H2,1-5H3,(H,19,22)(H2,20,21,24).
What are the key properties of methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate?
methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate has a molecular weight of 349.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate is sourced from PubChem (CID 22210278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).